ligpargen
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leelasd
A repository for tutorials and FAQ's about LigParGen
Hello, - [x] I believe this to be a bug with LigParGen - [x] This is a feature request ## Expected Behavior I would like to generate the files for...
- [ ] I believe this to be a bug with LigParGen ## Issue Information Software name & Version : LigParGen online server Method: Submit a molecule in .PDB format...
Nowadays there is no way to obtain the topology file for a common ion as the phosphate or sulphate. First the web page doesn't accept negative charge -3. And also...
- [x] I believe this to be a bug with LigParGen - [ ] This is a feature request ## Issue Information Software name & Version : web based Method:...
Hi Online server keeps giving me 504 gateway error when submitting molecules So, I'm trying to use BOSS to generate itp files. I did not find how to use pdb...
- [x] I believe this to be a bug with LigParGen - [ ] This is a feature request ## Issue Information Software name & Version : (this issue can...
Hi, We've been studying NNRTIs of the type described here: https://pubs.acs.org/doi/10.1021/ja408917n and had some issues with ligpargen parameterisation of cyano group torsions. This can be reproduced by parameterising the molecule:...
I am using an output files (.pdb) format from MaterialStudio. I have tried for H2O, CH4, and crystal structure of sI hydrate. All these systems are in .pdb format. I...
- [ ] I believe this to be a bug with LigParGen ## Issue Information Hi, I find different atom id in the output data from my input data. Is...
Dear Professor Ligpargen： I can' t get the opls-aa parameter for this smil character: CCCc1cc4c(cc1CCC(C)CC)c3CCc2c(CCC(C)C)cc6c7c2c3c8c4c%10cc5[nH]ccc5c%11c(CCCCCC(C)CC)cc9c(C(C)CCC)c(CC6CC)c7c8c9c%10%11, an error has occurred. Can you help me?
